Geometry & MOs

Info

ID:	436329
PubChem CID:	135199065
Reduced:	BrNOC34H34 (1)
Stoich.:	ABCD34E34 (1)
Weight, g/mol:	196.126343
ΔH_f, kcal/mol:	61.62
Dipole, Da:	2.91
IP(EA), eV:	-8.78(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-(4-fluoro-2-methylphenyl)pentan-2-ol

Drug info:

PubChemData

Smile

C/C=C\C=C/C(C)(C)/C=C(/C1=CC=CCC1NC(=O)C2=CC=C(C3=CC=CC=C32)Br)\C4=CC=CC=C4C

DOS

IR

Vibrations